CID 13524884

2,3-dihydro-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-4h-1,3-benzoxazin-4-one

Structural Information

Molecular Formula
C26H25NO8
SMILES
COC1=C(C=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC
InChI
InChI=1S/C26H25NO8/c1-30-19-11-10-15(12-20(19)31-2)26-27(25(29)17-8-6-7-9-18(17)35-26)24(28)16-13-21(32-3)23(34-5)22(14-16)33-4/h6-14,26H,1-5H3
InChIKey
SJYUPNPAPQSYOT-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.15802 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.16530 214.5
[M+Na]+ 502.14724 222.0
[M-H]- 478.15074 224.8
[M+NH4]+ 497.19184 220.0
[M+K]+ 518.12118 221.5
[M+H-H2O]+ 462.15528 202.2
[M+HCOO]- 524.15622 230.6
[M+CH3COO]- 538.17187 241.0
[M+Na-2H]- 500.13269 214.0
[M]+ 479.15747 223.9
[M]- 479.15857 223.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.